| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLAWYQQKPGKAPKLLIHDASQLFEGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQFDSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYYMSWVRQAPGKGLEWVSAISLSGGSTYYAASHKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCVREVGASTHNYYGMDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:39)
[INFO] Main: Simulation completed successfully. (00:04:43)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | D | A | -2.1897 | |
| 2 | I | A | -1.7723 | |
| 3 | Q | A | -2.1554 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3413 | |
| 6 | Q | A | -1.0252 | |
| 7 | S | A | -0.7405 | |
| 8 | P | A | -0.5884 | |
| 9 | S | A | -0.7592 | |
| 10 | S | A | -0.8006 | |
| 11 | L | A | -0.5750 | |
| 12 | S | A | -0.9677 | |
| 13 | A | A | -0.9653 | |
| 14 | S | A | -0.7895 | |
| 15 | V | A | 0.1779 | |
| 16 | G | A | -0.7316 | |
| 17 | D | A | -1.7972 | |
| 18 | R | A | -2.2837 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6345 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8652 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.7775 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.9355 | |
| 27 | Q | A | -2.2593 | |
| 28 | S | A | -1.4222 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.8239 | |
| 31 | S | A | -0.4087 | |
| 32 | Y | A | -0.0433 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | -1.2278 | |
| 39 | K | A | -1.7218 | |
| 40 | P | A | -1.5145 | |
| 41 | G | A | -1.7824 | |
| 42 | K | A | -2.4895 | |
| 43 | A | A | -1.5694 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.2865 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | H | A | 0.0000 | |
| 50 | D | A | -0.2991 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.4755 | |
| 53 | Q | A | -0.5324 | |
| 54 | L | A | -0.0887 | |
| 55 | F | A | -0.5817 | |
| 56 | E | A | -1.7574 | |
| 57 | G | A | -1.1823 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | -0.5298 | |
| 60 | S | A | -0.3419 | |
| 61 | R | A | -0.7294 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.3093 | |
| 64 | G | A | -0.4038 | |
| 65 | S | A | -0.7555 | |
| 66 | G | A | -1.0703 | |
| 67 | S | A | -0.9985 | |
| 68 | G | A | -1.1362 | |
| 69 | T | A | -1.7312 | |
| 70 | D | A | -2.0955 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7523 | |
| 73 | F | A | 0.0000 | |
| 74 | T | A | -0.6084 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3490 | |
| 77 | S | A | -1.1553 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.8562 | |
| 80 | P | A | -1.3872 | |
| 81 | E | A | -1.5454 | |
| 82 | D | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.7582 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | D | A | -1.1770 | |
| 93 | S | A | -0.8953 | |
| 94 | T | A | -0.4916 | |
| 95 | P | A | -0.5158 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.8153 | |
| 98 | F | A | -0.3168 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.1649 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.2973 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.3185 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.3828 | |
| 108 | R | A | -0.8338 | |
| 109 | T | A | -0.1322 | |
| 110 | V | A | 0.2545 | |
| 111 | A | A | -0.0870 | |
| 112 | A | A | -0.1271 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.2173 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.4474 | |
| 120 | P | A | -0.7539 | |
| 121 | S | A | -1.6926 | |
| 122 | D | A | -2.9166 | |
| 123 | E | A | -2.5694 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.1583 | |
| 126 | K | A | -2.7225 | |
| 127 | S | A | -1.6795 | |
| 128 | G | A | -1.2066 | |
| 129 | T | A | -0.9239 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.9329 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.7915 | |
| 142 | R | A | -3.0768 | |
| 143 | E | A | -3.2563 | |
| 144 | A | A | -2.3457 | |
| 145 | K | A | -2.4572 | |
| 146 | V | A | -1.1170 | |
| 147 | Q | A | -0.7097 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.5856 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.7926 | |
| 152 | N | A | -1.4724 | |
| 153 | A | A | -0.2408 | |
| 154 | L | A | 0.7306 | |
| 155 | Q | A | -0.0947 | |
| 156 | S | A | -0.3924 | |
| 157 | G | A | -0.9065 | |
| 158 | N | A | -0.8086 | |
| 159 | S | A | -1.1042 | |
| 160 | Q | A | -1.3737 | |
| 161 | E | A | -1.5112 | |
| 162 | S | A | -0.7897 | |
| 163 | V | A | -0.6965 | |
| 164 | T | A | -1.0579 | |
| 165 | E | A | -2.0388 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -1.9611 | |
| 168 | S | A | -2.0993 | |
| 169 | K | A | -2.4549 | |
| 170 | D | A | -1.7229 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.5970 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.4039 | |
| 181 | L | A | -0.5219 | |
| 182 | S | A | -0.8818 | |
| 183 | K | A | -1.8890 | |
| 184 | A | A | -1.6451 | |
| 185 | D | A | -2.1126 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.1974 | |
| 188 | K | A | -3.3595 | |
| 189 | H | A | -2.6907 | |
| 190 | K | A | -2.8548 | |
| 191 | V | A | -1.1982 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.8035 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.2055 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.7691 | |
| 200 | G | A | -0.4250 | |
| 201 | L | A | -0.2077 | |
| 202 | S | A | -0.4337 | |
| 203 | S | A | -0.3838 | |
| 204 | P | A | -0.4783 | |
| 205 | V | A | 0.2376 | |
| 206 | T | A | -0.2585 | |
| 207 | K | A | -0.5358 | |
| 208 | S | A | -0.5503 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.5842 | |
| 211 | R | A | -2.1913 | |
| 212 | G | A | -1.8025 | |
| 213 | E | A | -2.0452 | |
| 214 | C | A | -1.2571 | |
| 1 | E | B | -2.0387 | |
| 2 | V | B | -1.0814 | |
| 3 | Q | B | -1.1317 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.7658 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.3860 | |
| 8 | G | B | -0.7742 | |
| 9 | G | B | -0.5695 | |
| 10 | G | B | -0.2971 | |
| 11 | L | B | -0.1266 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.7810 | |
| 14 | P | B | -1.9887 | |
| 15 | G | B | -1.6387 | |
| 16 | G | B | -1.2737 | |
| 17 | S | B | -1.4272 | |
| 18 | L | B | -1.1767 | |
| 19 | R | B | -2.0868 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4373 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.1960 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.7893 | |
| 26 | G | B | -1.1581 | |
| 27 | F | B | -0.4670 | |
| 28 | T | B | -0.2094 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.3318 | |
| 31 | S | B | 0.0021 | |
| 32 | Y | B | 0.2836 | |
| 33 | Y | B | 0.4260 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.8485 | |
| 40 | A | B | -1.2338 | |
| 41 | P | B | -1.0006 | |
| 42 | G | B | -1.4496 | |
| 43 | K | B | -2.2644 | |
| 44 | G | B | -1.4077 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.9733 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0888 | |
| 53 | L | B | 0.2062 | |
| 54 | S | B | -0.3815 | |
| 55 | G | B | -0.5365 | |
| 56 | G | B | -0.6187 | |
| 57 | S | B | -0.2252 | |
| 58 | T | B | 0.1478 | |
| 59 | Y | B | 0.5599 | |
| 60 | Y | B | 0.0435 | |
| 61 | A | B | -0.4612 | |
| 62 | A | B | -0.7159 | |
| 63 | S | B | -0.7217 | |
| 64 | H | B | 0.0000 | |
| 65 | K | B | -1.9069 | |
| 66 | G | B | -1.5466 | |
| 67 | R | B | -1.4199 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7601 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.4701 | |
| 72 | R | B | -0.9529 | |
| 73 | D | B | -1.4941 | |
| 74 | N | B | -1.6136 | |
| 75 | S | B | -1.5737 | |
| 76 | K | B | -2.3540 | |
| 77 | N | B | -1.7631 | |
| 78 | T | B | -1.0263 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5586 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.2670 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.6428 | |
| 85 | S | B | -1.4857 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.9252 | |
| 88 | A | B | -2.0073 | |
| 89 | E | B | -2.4172 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.8834 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.0594 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | E | B | 0.1111 | |
| 100 | V | B | 0.0000 | |
| 101 | G | B | 0.0000 | |
| 102 | A | B | -0.5985 | |
| 103 | S | B | -0.5196 | |
| 104 | T | B | -0.6210 | |
| 105 | H | B | -1.1169 | |
| 106 | N | B | -1.3331 | |
| 107 | Y | B | -0.2437 | |
| 108 | Y | B | 0.0702 | |
| 109 | G | B | 0.0000 | |
| 110 | M | B | 0.0000 | |
| 111 | D | B | -0.4450 | |
| 112 | V | B | -0.2875 | |
| 113 | W | B | -0.4471 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -1.3321 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | -0.0674 | |
| 118 | M | B | -0.0452 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | -0.5992 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -1.0922 | |
| 123 | S | B | -0.7368 | |
| 124 | A | B | -0.4608 | |
| 125 | S | B | -0.5558 | |
| 126 | T | B | -0.5852 | |
| 127 | K | B | -1.1353 | |
| 128 | G | B | -1.3583 | |
| 129 | P | B | 0.0000 | |
| 130 | S | B | -0.3437 | |
| 131 | V | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | P | B | -1.1918 | |
| 134 | L | B | 0.0000 | |
| 135 | A | B | -1.1948 | |
| 136 | P | B | 0.0000 | |
| 137 | S | B | -0.9950 | |
| 138 | S | B | -0.8211 | |
| 139 | K | B | -1.1183 | |
| 140 | S | B | 0.0000 | |
| 141 | T | B | -0.7698 | |
| 142 | S | B | -0.7730 | |
| 143 | G | B | -0.8229 | |
| 144 | G | B | -0.8848 | |
| 145 | T | B | -0.6186 | |
| 146 | A | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | C | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | D | B | -0.3521 | |
| 155 | Y | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | P | B | 0.0000 | |
| 158 | E | B | -0.5041 | |
| 159 | P | B | -0.7252 | |
| 160 | V | B | -0.7285 | |
| 161 | T | B | -0.6636 | |
| 162 | V | B | -0.2352 | |
| 163 | S | B | -0.4038 | |
| 164 | W | B | 0.0000 | |
| 165 | N | B | -0.6972 | |
| 166 | S | B | -0.6360 | |
| 167 | G | B | -0.4684 | |
| 168 | A | B | -0.2160 | |
| 169 | L | B | 0.0407 | |
| 170 | T | B | -0.1487 | |
| 171 | S | B | -0.1606 | |
| 172 | G | B | -0.1879 | |
| 173 | V | B | 0.1986 | |
| 174 | H | B | -0.2806 | |
| 175 | T | B | -0.1182 | |
| 176 | F | B | 0.0000 | |
| 177 | P | B | -0.2579 | |
| 178 | A | B | 0.2676 | |
| 179 | V | B | 0.5036 | |
| 180 | L | B | 1.1370 | |
| 181 | Q | B | 0.2227 | |
| 182 | S | B | -0.0808 | |
| 183 | S | B | -0.2213 | |
| 184 | G | B | 0.0215 | |
| 185 | L | B | 0.1331 | |
| 186 | Y | B | 0.4663 | |
| 187 | S | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | T | B | -0.1105 | |
| 194 | V | B | 0.0000 | |
| 195 | P | B | -0.6110 | |
| 196 | S | B | -0.5757 | |
| 197 | S | B | -0.5714 | |
| 198 | S | B | -0.5402 | |
| 199 | L | B | -0.7423 | |
| 200 | G | B | -0.9216 | |
| 201 | T | B | -0.6487 | |
| 202 | Q | B | -1.0749 | |
| 203 | T | B | -0.9886 | |
| 204 | Y | B | 0.0000 | |
| 205 | I | B | -1.1286 | |
| 206 | C | B | 0.0000 | |
| 207 | N | B | -1.4918 | |
| 208 | V | B | 0.0000 | |
| 209 | N | B | -2.1748 | |
| 210 | H | B | 0.0000 | |
| 211 | K | B | -2.7909 | |
| 212 | P | B | -1.5294 | |
| 213 | S | B | -1.8035 | |
| 214 | N | B | -2.5994 | |
| 215 | T | B | -2.1121 | |
| 216 | K | B | -2.8036 | |
| 217 | V | B | -1.6182 | |
| 218 | D | B | -2.4967 | |
| 219 | K | B | -2.0395 | |
| 220 | K | B | -2.3169 | |
| 221 | V | B | 0.0000 | |
| 222 | E | B | -2.8038 | |
| 223 | P | B | -1.8886 | |
| 224 | K | B | -2.5764 | |
| 225 | S | B | -1.9121 | |
| 226 | C | B | -1.7577 | |
| 227 | D | B | -2.8621 | |
| 228 | K | B | -2.7973 | |
| 229 | T | B | -1.9110 | |
| 230 | H | B | -1.8824 | |
| 231 | T | B | -0.8438 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine